CID 19620734

1-methyl-3-(trifluoromethyl)-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C5H6F3N3
SMILES
CN1C=C(C(=N1)C(F)(F)F)N
InChI
InChI=1S/C5H6F3N3/c1-11-2-3(9)4(10-11)5(6,7)8/h2H,9H2,1H3
InChIKey
OHASPUNAEXVWEP-UHFFFAOYSA-N
Compound name
1-methyl-3-(trifluoromethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

165.05138 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.058656 127.9
[M+Na]+ 188.040598 138.5
[M-H]- 164.044104 125.5
[M+NH4]+ 183.085203 147.6
[M+K]+ 204.014538 136.4
[M+H-H2O]+ 148.048640 119.2
[M+HCOO]- 210.049581 147.5
[M+CH3COO]- 224.065231 179.1
[M+Na-2H]- 186.026046 132.7
[M]+ 165.05083142 122.9
[M]- 165.05192858 122.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe